CID 53484283

3-ethenyloxetan-3-ol

Structural Information

Molecular Formula
C5H8O2
SMILES
C=CC1(COC1)O
InChI
InChI=1S/C5H8O2/c1-2-5(6)3-7-4-5/h2,6H,1,3-4H2
InChIKey
IRTNICKAXISCBY-UHFFFAOYSA-N
Compound name
3-ethenyloxetan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

100.05243 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.059706 113.9
[M+Na]+ 123.041648 120.6
[M-H]- 99.045154 117.3
[M+NH4]+ 118.086253 130.7
[M+K]+ 139.015588 124.1
[M+H-H2O]+ 83.049690 106.1
[M+HCOO]- 145.050631 134.8
[M+CH3COO]- 159.066281 165.9
[M+Na-2H]- 121.027096 123.3
[M]+ 100.05188142 121.9
[M]- 100.05297858 121.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe